SCHEMBL7053871

SCHEMBL7053871

[NH]Cc1cccc(S(=O)(=O)C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
PTPRZ1 P23471 1/20 0.40
EPAS1 Q99814 4/20 0.39
LMNA P02545 2/20 0.39
P2RX1 P51575 1/20 0.37
ESPL1 Q14674 1/20 0.37
HTR6 P50406 1/20 0.37
RXFP1 Q9HBX9 3/20 0.36
CYP19A1 P11511 1/20 0.36
NPC1 O15118 1/20 0.36
TNF P01375 1/20 0.36
RAB9A P51151 1/20 0.36
NOD1 Q9Y239 1/20 0.36
POLB P06746 1/20 0.36
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CA2 P00918 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7055000 0.84 ALDH1A1 (0.46) ALDH1A1PTPRZ1EPAS1LMNAP2RX1
SCHEMBL10679943 0.82 ALDH1A1 (0.44) ALDH1A1PTPRZ1EPAS1LMNAP2RX1
SCHEMBL7055001 0.82 EPAS1 (0.46) ALDH1A1PTPRZ1EPAS1LMNAP2RX1
SCHEMBL21246255 0.82 ALDH1A1 (0.44) ALDH1A1PTPRZ1EPAS1LMNAP2RX1
SCHEMBL10182305 0.82 LMNA (0.45) ALDH1A1PTPRZ1EPAS1LMNAESPL1
SCHEMBL7053882 0.82 ALDH1A1 (0.49) ALDH1A1PTPRZ1EPAS1LMNAHTR6
SCHEMBL1604912 0.82 ALDH1A1 (0.44) ALDH1A1PTPRZ1EPAS1LMNAP2RX1
SCHEMBL31239593 0.82 ALDH1A1 (0.44) ALDH1A1PTPRZ1EPAS1LMNAP2RX1
SCHEMBL8519013 0.80 ALDH1A1 (0.57) ALDH1A1PTPRZ1EPAS1LMNAP2RX1
SCHEMBL10181753 0.79 LMNA (0.47) ALDH1A1PTPRZ1EPAS1LMNAESPL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0882715-B1 NOVEL N-(UNSUBSTITUTED OR SUBSTITUTED)-4-SUBSTITUTED-6-(UNSUBSTITUTED OR SUBSTITUTED)PHENOXY-2-PYRIDINECARBOXAMIDES OR THIOCARBOXAMIDES, PROCESSES FOR PRODUCING THE SAME, AND HERBICIDES KUREHA CHEMICAL IND CO LTD (JP) 2003-04-23 EP disclosed
US-6339045-B1 CAN BE USED IN A SMALL AMOUNT, SHOWING A GOOD SELECTIVITY BETWEEN CROP AND WEED, AND CAUSING NO PHYTOTOXICITY KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 2002-01-15 US disclosed
EP-0882715-A1 NOVEL N-(UNSUBSTITUTED OR SUBSTITUTED)-4-SUBSTITUTED-6-(UNSUBSTITUTED OR SUBSTITUTED)PHENOXY-2-PYRIDINECARBOXAMIDES OR THIOCARBOXAMIDES, PROCESSES FOR PRODUCING THE SAME, AND HERBICIDES KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1998-12-09 EP disclosed